1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane

C17H32F2O — CID 58275571

IUPAC1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(CCCCC(F)(F)C(C)(C)C)CCC1
InChIInChI=1S/C17H32F2O/c1-14(2)20-13-16(10-8-11-16)9-6-7-12-17(18,19)15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyVPDJYRVXZMZCGP-UHFFFAOYSA-N
MW290.44 g/mol
LogP5.82
Rot. Bonds8

About 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane

1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane (PubChem CID 58275571) has the molecular formula C17H32F2O and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane
PubChem CID58275571
Molecular FormulaC17H32F2O
Molecular Weight290.44 g/mol
Exact Mass290.24
IUPAC Name1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(CCCCC(F)(F)C(C)(C)C)CCC1
InChIInChI=1S/C17H32F2O/c1-14(2)20-13-16(10-8-11-16)9-6-7-12-17(18,19)15(3,4)5/h14H,6-13H2,1-5H3
InChIKeyVPDJYRVXZMZCGP-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.44
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7,7-Difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
CID 58275561
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275562
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275566
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
CID 58275567
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 58275568
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275569
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275572
8-Ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
CID 58275576
8,8-Difluoro-2,2,9-trimethyl-1-propan-2-yloxydecane
CID 58275583
1-(4,4-Difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275589
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclohexane
CID 58275591

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane?
The IUPAC name of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane (CID 58275571) is 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane.
What is the SMILES notation for 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane?
The canonical SMILES for 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane is CC(C)OCC1(CCCCC(F)(F)C(C)(C)C)CCC1.
What is the InChIKey of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane?
The InChIKey is VPDJYRVXZMZCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2O/c1-14(2)20-13-16(10-8-11-16)9-6-7-12-17(18,19)15(3,4)5/h14H,6-13H2,1-5H3.
What are the key properties of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane?
1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane has a molecular weight of 290.44 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane is sourced from PubChem (CID 58275571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).